7-cyclohexylheptanoic acid

C13H24O2 — CID 71560336

IUPAC7-cyclohexylheptanoic acid
SMILESO=C(O)CCCCCCC1CCCCC1
InChIInChI=1S/C13H24O2/c14-13(15)11-7-2-1-4-8-12-9-5-3-6-10-12/h12H,1-11H2,(H,14,15)
InChIKeyKVRPUMSXDGGYGU-UHFFFAOYSA-N
MW212.33 g/mol
LogP3.99
Rot. Bonds7

About 7-cyclohexylheptanoic acid

7-cyclohexylheptanoic acid (PubChem CID 71560336) has the molecular formula C13H24O2 and a molecular weight of 212.33 g/mol. Its IUPAC name is 7-cyclohexylheptanoic acid.

Molecular Properties

Compound Name7-cyclohexylheptanoic acid
PubChem CID71560336
Molecular FormulaC13H24O2
Molecular Weight212.33 g/mol
Exact Mass212.18
IUPAC Name7-cyclohexylheptanoic acid
SMILESO=C(O)CCCCCCC1CCCCC1
InChIInChI=1S/C13H24O2/c14-13(15)11-7-2-1-4-8-12-9-5-3-6-10-12/h12H,1-11H2,(H,14,15)
InChIKeyKVRPUMSXDGGYGU-UHFFFAOYSA-N
XLogP3.99
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.33
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

19-cyclohexylnonadecanoic acid
CID 71352938
7-cycloheptylheptanoic acid
CID 135077063
8-cyclooctyloctanoic acid
CID 142719661
8-cyclobutyloctanoic acid
CID 72551210
12-[(8E)-cyclohexadec-8-en-1-yl]dodecanoic acid
CID 67740189
11-(3-deuteriocycloheptyl)(1113C)undecanoic acid
CID 10565022
(Z)-18-cyclohexyloctadec-9-enoic acid
CID 70304704
11-(3-deuteriocycloheptyl)undecanoic acid
CID 10731719
4-cyclohexylbutanoic acid;λ2-plumbane
CID 173062750
CID 131865884
CID 131865884
18-cyclohexyloctadecanamide
CID 70490920
5-(3-cyclopentylpropylamino)pentanoic acid
CID 106004168

Frequently Asked Questions

What is the IUPAC name of 7-cyclohexylheptanoic acid?
The IUPAC name of 7-cyclohexylheptanoic acid (CID 71560336) is 7-cyclohexylheptanoic acid.
What is the SMILES notation for 7-cyclohexylheptanoic acid?
The canonical SMILES for 7-cyclohexylheptanoic acid is O=C(O)CCCCCCC1CCCCC1.
What is the InChIKey of 7-cyclohexylheptanoic acid?
The InChIKey is KVRPUMSXDGGYGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O2/c14-13(15)11-7-2-1-4-8-12-9-5-3-6-10-12/h12H,1-11H2,(H,14,15).
What are the key properties of 7-cyclohexylheptanoic acid?
7-cyclohexylheptanoic acid has a molecular weight of 212.33 g/mol, XLogP of 3.99, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclohexylheptanoic acid is sourced from PubChem (CID 71560336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).